4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidine

C14H13ClN2O2 — CID 65350780

IUPAC4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidine
SMILESCc1nc(C2COc3ccccc3O2)nc(Cl)c1C
InChIInChI=1S/C14H13ClN2O2/c1-8-9(2)16-14(17-13(8)15)12-7-18-10-5-3-4-6-11(10)19-12/h3-6,12H,7H2,1-2H3
InChIKeyFOTUJLFAQIFYHR-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.26
Rot. Bonds1

About 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidine

4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidine (PubChem CID 65350780) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidine
PubChem CID65350780
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidine
SMILESCc1nc(C2COc3ccccc3O2)nc(Cl)c1C
InChIInChI=1S/C14H13ClN2O2/c1-8-9(2)16-14(17-13(8)15)12-7-18-10-5-3-4-6-11(10)19-12/h3-6,12H,7H2,1-2H3
InChIKeyFOTUJLFAQIFYHR-UHFFFAOYSA-N
XLogP3.26
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-Dichlorophenoxy)-4-methoxy-2,6-dimethylpyrimidine
CID 2745080
Pyrimidine, 4-amino-2-((m-chlorophenoxy)methyl)-6-methyl-, hydrochloride
CID 3051323
Pyrimidine, 4-amino-2-((o-methoxyphenoxy)methyl)-6-methyl-, hydrochloride
CID 3051324
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,6-trimethylpyrimidin-4-amine
CID 45872154
4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 56811782
5-Benzyloxy-4-chlor-6-isopropyl-2-methylpyrimidin
CID 14196529
4-Chloro-6-methyl-2-(phenoxymethyl)pyrimidine
CID 15561341
2-[(3-Chlorophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 911402
2-[(2-Methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 3051325
4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-5-fluoro-6-methylpyrimidine
CID 65997643
[2-(2,3-Dihydro-1,4-benzodioxin-3-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 65997658
2-(2,3-Dihydro-1,4-benzodioxin-3-yl)-5-fluoro-6-methylpyrimidin-4-amine
CID 65997778

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidine?
The IUPAC name of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidine (CID 65350780) is 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidine?
The canonical SMILES for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidine is Cc1nc(C2COc3ccccc3O2)nc(Cl)c1C.
What is the InChIKey of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidine?
The InChIKey is FOTUJLFAQIFYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-8-9(2)16-14(17-13(8)15)12-7-18-10-5-3-4-6-11(10)19-12/h3-6,12H,7H2,1-2H3.
What are the key properties of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidine?
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidine has a molecular weight of 276.72 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidine is sourced from PubChem (CID 65350780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).